Elvitegravir 埃替拉韦
CAS 697761-98-1 MFCD97761981
化学结构图
SMILES: COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
化学属性
| Mol. Weight | 447.88 |
|---|---|
| Mol. Formula | C23H23ClFNO5 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO. |
别名和识别编码
| CAS Number | 697761-98-1 |
|---|---|
| Chemical Name | Elvitegravir |
| Synonym | 6-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-3-quinolinecarboxylic Acid GS 9137 GS-9137 GS-9137; GS9137; GS 9137; JTK 303; JTK-303; JTK303; EVG; Elvitegravir; brand name: Stribild GS9137 JTK 303 JTK-303 JTK303 Vitekta elvitegravir |
| Chemical Name Translation | 埃替拉韦 |
| PubChem Substance ID | 5277135 |
| InChI | InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1 |
| Formula | C23H23ClFNO5 |
| IUPAC Name | 6-[(3-Chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid |
| InChIKey | JUZYLCPPVHEVSV-LJQANCHMSA-N |
| Canonical SMILES | O=C(C1=CN([C@@H](C(C)C)CO)C2=C(C=C(CC3=CC=CC(Cl)=C3F)C(OC)=C2)C1=O)O |
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分类
- Aromatics
- Heterocycles
- Inhibitors
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- Elvitegravir, also known as GS-9137 ans EVG, is an integrase inhibitor used to treat HIV infection. The drug gained approval by the U.S. Food and Drug Administration on August 27, 2012 for use in adult patients starting HIV treatment for the first time as part of the fixed dose combination known as Stribild.
相关文献及参考
- Chou, T., et al.: Eur. J. Biochem., 115, 207
- [1]. Shimura K, et al. Broad antiretroviral activity and resistance profile of the novel human immunodeficiency virus integrase inhibitor elvitegravir (JTK-303/GS-9137). J Virol. 2008 Jan;82(2):764-74.
